N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C22H29N3O — CID 109008236

IUPACN-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)19-8-4-5-9-20(19)24-21(26)16-23-17-10-12-18(13-11-17)25-14-6-7-15-25/h4-5,8-13,23H,6-7,14-16H2,1-3H3,(H,24,26)
InChIKeyOBGZNEKCNDKJFB-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.63
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109008236) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109008236
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H29N3O/c1-22(2,3)19-8-4-5-9-20(19)24-21(26)16-23-17-10-12-18(13-11-17)25-14-6-7-15-25/h4-5,8-13,23H,6-7,14-16H2,1-3H3,(H,24,26)
InChIKeyOBGZNEKCNDKJFB-UHFFFAOYSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956040
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109008236) is N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is CC(C)(C)c1ccccc1NC(=O)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is OBGZNEKCNDKJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-22(2,3)19-8-4-5-9-20(19)24-21(26)16-23-17-10-12-18(13-11-17)25-14-6-7-15-25/h4-5,8-13,23H,6-7,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).